SCHEMBL2435877

SCHEMBL2435877

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Sc3ccnc(Cl)n3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
RET P07949 2/20 0.56
PDGFRB P09619 2/20 0.56
KIT P10721 2/20 0.56
RXFP1 Q9HBX9 4/20 0.53
P2RX1 P51575 2/20 0.48
SLC2A1 P11166 1/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2439076 0.89 KDR (0.68) KDRFLT1FLT4RETPDGFRB
SCHEMBL2432219 0.83 KDR (0.70) KDRFLT1FLT4RETPDGFRB
SCHEMBL2433812 0.83 RXFP1 (0.54) KDRFLT1FLT4RETPDGFRB
SCHEMBL5740671 0.81 KDR (0.82) KDRFLT1FLT4RETPDGFRB
SCHEMBL2747717 0.81 KDR (0.82) KDRFLT1FLT4RETPDGFRB
SCHEMBL2433575 0.78 PTPN1 (0.47) KDRMEN1KMT2A
SCHEMBL987105 0.75 RXFP1 (0.72) KDRFLT1FLT4RETPDGFRB
SCHEMBL27652617 0.75 RXFP1 (0.88) RXFP1P2RX1P2RX4P2RX7PTGS1
SCHEMBL2435904 0.74 KDR (0.70) KDRFLT1FLT4RETPDGFRB
SCHEMBL2439211 0.73 KDR (0.72) KDRFLT1FLT4RETPDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed